1,6-bis(4-ethoxyphenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione diiodide

Systemtic Name: 1,6-bis(4-ethoxyphenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione diiodide Openeye Name: 1,6-bis(4-ethoxyphenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione diiodide CAS Name: 1,6-bis(4-ethoxyphenyl)-2,5-bis[(1-methyl-1-azepan-1-iumyl)methyl]hexane-1,6-dione diiodide IUPAC Name: 1,6-bis(4-ethoxyphenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione diiodide Traditional Name: 2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]-1,6-bis(p-phenetyl)hexane-1,6-dione diiodide Formula: C38H58I2N2O4 MolecularWeight: 860.68706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(CCC(C[N+]2(CCCCCC2)C)C(=O)C3=CC=C(C=C3)OCC)C[N+]4(CCCCCC4)C.[I-].[I-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(CCC(C[N+]2(CCCCCC2)C)C(=O)C3=CC=C(C=C3)OCC)C[N+]4(CCCCCC4)C.[I-].[I-]

InChI

InChI=1S/C38H58N2O4.2HI/c1-5-43-35-21-17-31(18-22-35)37(41)33(29-39(3)25-11-7-8-12-26-39)15-16-34(30-40(4)27-13-9-10-14-28-40)38(42)32-19-23-36(24-20-32)44-6-2;;/h17-24,33-34H,5-16,25-30H2,1-4H3;2*1H/q+2;;/p-2